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  • Exploring the effect of ritonavir and TMC-310911 on SARS-CoV-2 and SARS-CoV main proteases: potential from a molecular perspective #MMPMID33432269
  • Soremekun OS; Omolabi KF; Adewumi AT; Soliman ME
  • Future Sci OA ä[]; 7 (1): ä PMID33432269show ga
  • Aim:: As coronavirus (CoV)disease 2019-associated pneumonia spreads globally, there has been an urgent need to combat the spread and develop vaccines. Materials & methods:: We used an integrated computational algorithmto explore the binding mechanism of TMC-310911/ritonavir (RVT) with SARS-CoV-2and SARS-CoV main proteases. Results:: RVT and TMC-310911 had favorable interactions with the proteases, andthese high interactions are facilitated by some significant residues such as Asn133, Gly195and Gln192. Our study further implicated two important rings in the structure of RVTas a possible chemical culprit in its therapeutic activity. Conclusion:: Although there are conflicting clinical results on the therapeutic potency of RVTin the treatment of coronavirus disease 2019, our findings provided molecular insight into the binding mechanism of TMC-310911 and RVTwith SARS-CoV-2 and SARS-CoV main proteases.
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  • suck abstract from ncbi

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